Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.54 |
| ▸ | CCR2 | P41597 | 2/20 | 0.46 |
| ▸ | CCR1 | P32246 | 1/20 | 0.46 |
| ▸ | CCR5 | P51681 | 1/20 | 0.46 |
| ▸ | SRD5A1 | P18405 | 11/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16480402 | 0.85 | PARP1 (0.46) | NOTUMSRD5A1PARP1KMT2A | |
| SCHEMBL9893095 | 0.82 | NOTUM (0.50) | NOTUMCCR2CCR1CCR5SRD5A1 | |
| SCHEMBL9891750 | 0.82 | NOTUM (0.50) | NOTUMCCR2CCR1CCR5SRD5A1 | |
| SCHEMBL9108096 | 0.79 | NOTUM (0.50) | NOTUMCCR2CCR1CCR5HDAC1 | |
| SCHEMBL9108102 | 0.79 | NOTUM (0.50) | NOTUMCCR2CCR1CCR5HDAC1 | |
| SCHEMBL16480395 | 0.77 | SLC6A2 (0.52) | PARP1KMT2A | |
| SCHEMBL4439133 | 0.75 | PARP1 (0.49) | NOTUMPARP1KMT2A | |
| SCHEMBL22658820 | 0.74 | SLC6A2 (0.46) | NOTUMCCR2CCR1SRD5A1KMT2A | |
| SCHEMBL9893145 | 0.74 | SLC6A2 (0.46) | NOTUMCCR2CCR1SRD5A1KMT2A | |
| SCHEMBL9892990 | 0.74 | ABL1 (0.44) | PARP1HDAC1HDAC8HDAC6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8629157-B2 | Pyrrolidine compounds which modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-14 | — | — | US | disclosed |